2-chloro-3,4-dihydro-2H-1-benzopyran | 485845-14-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-chloro-3,4-dihydro-2H-1-benzopyran
• 英文别名: 3,4-dihydro-2-chloro-2H-1-benzopyran；Chlorochroman；2-chloro-3,4-dihydro-2H-chromene
• CAS: 485845-14-5
• 化学式: C₉H₉ClO
• 分子量: 168.623
• InChiKey: RZGVSNHPAIHNAP-UHFFFAOYSA-N

物化性质

• 沸点：
  260.0±29.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-chloro-3,4-dihydro-2H-1-benzopyran 在 四丁基氟化铵 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 为溶剂， 反应 7.33h， 生成 2-vinylchroman
  参考文献：
  名称：

  Synthesis and Nucleophilic Substitution Reactions of Mono alpha-Fluoro Ethers.

  摘要：

  DOI：

  10.3891/acta.chem.scand.53-0041
• 作为产物：
  描述：

  chroman-2-ol 在 氯化亚砜 、 zinc(II) chloride 作用下， 以 甲苯 为溶剂， 以80%的产率得到2-chloro-3,4-dihydro-2H-1-benzopyran
  参考文献：
  名称：

  3,4-Dihydro-2 H -1-Benzopyrans 中 2-S 取代基的强烈轴向偏好

  摘要：

  O,S,S-缩醛衍生物 (1 R *,2 R *,2' S *)-1-(3,4-dihydro-2 H -1-benzopyran-2-ylthio) 的合成和晶体结构报道了-2-苯基-1-苯基硫代丙-2-醇4。由 1 H NMR 光谱中的 OCHS 信号确定的溶液中的 2-S-侧链取向在所有 3,4-二氢-2 H -1-苯并吡喃衍生物中主要是轴向的。化合物 4 在具有轴向 2-S 侧链的三斜空间群 P 1 中结晶，并且 OH 和醚氧之间的分子内氢键与 O;;;O 的距离为 2.799(3) Å。

  DOI：

  10.1080/10426500210244

文献信息

• 1,4-DIAZACYCLOHEPTANE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS
  申请人：AstraZeneca AB

  公开号：EP1140891A1

  公开（公告）日：2001-10-10
• CARBAZOLE-DERIVED PHARMACEUTICAL COMPOSITIONS
  申请人：Jadolabs Gmbh

  公开号：EP1768663A1

  公开（公告）日：2007-04-04
• Carbazole-Derived Pharmaceutical Compositions
  申请人：Braxmeier Tobias

  公开号：US20100063126A1

  公开（公告）日：2010-03-11

  The present invention relates to the use of specific carbazole derivatives in the preparation of medicaments for the treatment, prevention and/or amelioration of disorders relating to pathological processes in lipid rafts.
• NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES
  申请人：Bayer Animal Health GMBH

  公开号：US20210115026A1

  公开（公告）日：2021-04-22

  The present invention covers new quinoline compounds of general formula (I): in which A, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and Q are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment, control and/or prevention of diseases, in particular of helminth infections, as a sole agent or in combination with other active ingredients.
• [EN] 1,4-DIAZACYCLOHEPTANE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS<br/>[FR] COMPOSES DE 1,4-DIAZACYCLO-HEPTANE, PROCEDEEDE PREPARATION ET APPLICATIONS MEDICAMENTEUSES
  申请人：ASTRAZENECA UK LTD

  公开号：WO2000040574A1

  公开（公告）日：2000-07-13

  1,4-Diazacyclo-heptanes of formula (I) wherein R is selected from hydrogen, C1-10alkyl, C2-8alkenyl, C3-8cycloalkyl, C3-8cycloalkyl C1-6alkyl, phenylC1-6alkyl and phenyl, R1 at each occurrence is independently selected from hydrogen, C¿1-6?alkyl, C2-6alkenyl, C1-6alkoxy, halo, hydroxy, C1-6alkanoyl, haloC1-6alkyl, cyano and nitro, m is 4, R?2¿ at each occurrence is independently selected from hydrogen and C¿1-6?alkyl, and n is 4, together with processes for their manufacture and compositions containing them. Compounds of formula (I) are pharmacologically useful.